CID 116987083

Methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate

Structural Information

Molecular Formula
C8H11NO2S
SMILES
CC(C)(C1=NC=CS1)C(=O)OC
InChI
InChI=1S/C8H11NO2S/c1-8(2,7(10)11-3)6-9-4-5-12-6/h4-5H,1-3H3
InChIKey
YIILUFDXAKNGKX-UHFFFAOYSA-N
Compound name
methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

185.05106 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.058336 140.3
[M+Na]+ 208.040278 148.9
[M-H]- 184.043784 143.2
[M+NH4]+ 203.084883 161.4
[M+K]+ 224.014218 147.9
[M+H-H2O]+ 168.048320 134.8
[M+HCOO]- 230.049261 157.6
[M+CH3COO]- 244.064911 178.5
[M+Na-2H]- 206.025726 142.8
[M]+ 185.05051142 144.4
[M]- 185.05160858 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe